Modeling aqueous electrolyte solutions: Part 1. Fully dissociated electrolytes |
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Authors: | Christoph Held Luca F Cameretti Gabriele Sadowski |
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Institution: | aLaboratory of Thermodynamics, Faculty of Biochemical and Chemical Engineering, Dortmund University of Technology, Emil-Figge-Str. 70, 44227 Dortmund, Germany |
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Abstract: | Liquid densities (pvT), vapor pressures (VLE), and mean ionic activity coefficients (MIAC) at 25 °C of 115 single-salt electrolyte solutions containing univalent up to trivalent ions are modeled with the ePC-SAFT equation of state proposed by Cameretti et al. L.F. Cameretti, G. Sadowski, J.M. Mollerup, Ind. Eng. Chem. Res. 44 (2005) 3355–3362; ibid., 8944]. For each ion, only two model parameters were adjusted to experimental density and MIAC data. Without using any additional binary parameters, ePC-SAFT is able to reproduce experimental data of the respective salt solutions up to high electrolyte molalities. Moreover, it is even able to describe the reversed MIAC series for alkali hydroxides and fluorides. |
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Keywords: | Thermodynamic properties Density Vapor– liquid equilibria Mean ionic activity coefficient Equation of state PC-SAFT Debye– Hü ckel Aqueous solutions Binary mixtures Primitive model |
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